SCHEMBL8129794

SCHEMBL8129794

COc1ccc(Oc2[c]cccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.47
LTA4H P09960 2/20 0.44
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 8/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 5/20 0.40
MAPT P10636 4/20 0.40
PKM P14618 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HTT P42858 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1031471 0.86 KMT2A (0.44) ALDH1A1KMT2AMEN1RAB9AKDM4E
SCHEMBL316115 0.83 LTA4H (0.42) LTA4HALDH1A1KMT2ARAB9ALMNA
SCHEMBL8128538 0.82 MAPT (0.38) LTA4HALDH1A1KMT2AMEN1RAB9A
SCHEMBL9900619 0.82 MEN1 (0.56) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL314481 0.82 KMT2A (0.39) ALDH1A1KMT2AMEN1RAB9ALMNA
SCHEMBL217907 0.82 RAB9A (0.42) LTA4HALDH1A1KMT2AMEN1RAB9A
SCHEMBL126131 0.78
SCHEMBL1967426 0.75 CLK4 (0.56) CLK4ALDH1A1RAB9AKDM4EHPGD
SCHEMBL8122786 0.74 LMNA (0.50) LTA4HALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8116994 0.71 ALDH1A1 (0.47) LTA4HALDH1A1KMT2AMEN1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed